input word = C00055166

Metabolite InformationStructural formula
Name 23R-Acetoxytomatidine
Formula C29H47NO4
Mw 473.350509
CAS RN 152128-84-2
C_ID C00055166
InChIKey HQJSCXYJQVACQR-SOFKFMMUSA-N
InChICode InChI=1S/C29H47NO4/c1-16-12-25(33-18(3)31)29(30-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(32)8-10-27(19,4)22(21)9-11-28(23,26)5/h16-17,19-26,30,32H,6-15H2,1-5H3/t16-,17-,19-,20-,21+,22-,23-,24-,25+,26-,27-,28-,29+/m0/s1
SMILES CC(=O)O[C@@H]1C[C@H](C)CN[C@]12O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeLycopersicon esculentum Ref.
PlantaeSolanaceaeLycopersicon hirsutum hybrid Ref.
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OrganismLycopersicon esculentum
ReferenceRipperger, H. et al., Phytochemistry, 1993, 32, 1607-1609 (23-Hydroxysoladulcidine)